CID 55284419

1638333-57-9

Structural Information

Molecular Formula

C₆H₁₀N₂O

SMILES

C1[C@@H]2[C@@H](C2C(=O)N)CN1

InChI

InChI=1S/C6H10N2O/c7-6(9)5-3-1-8-2-4(3)5/h3-5,8H,1-2H2,(H2,7,9)/t3-,4+,5?

InChIKey

GLEUKLIFNNEVEM-NGQZWQHPSA-N

Compound name

(1S,5R)-3-azabicyclo[3.1.0]hexane-6-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 16
Patents: 126.079315 Da
Monoisotopic Mass: -1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	127.08659	125.9
[M+Na]+	149.06853	135.3
[M-H]-	125.07204	128.2
[M+NH4]+	144.11314	143.5
[M+K]+	165.04247	131.4
[M+H-H2O]+	109.07658	120.4
[M+HCOO]-	171.07752	146.1
[M+CH3COO]-	185.09317	174.2
[M+Na-2H]-	147.05398	130.3
[M]+	126.07877	124.0
[M]-	126.07986	124.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe